N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine

C14H16N8O — CID 134072304

IUPACN-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine
SMILESCn1nccc1-c1nnn2c1COC(CNc1ncccn1)C2
InChIInChI=1S/C14H16N8O/c1-21-11(3-6-18-21)13-12-9-23-10(8-22(12)20-19-13)7-17-14-15-4-2-5-16-14/h2-6,10H,7-9H2,1H3,(H,15,16,17)
InChIKeyYRKVTBOPUSUBCN-UHFFFAOYSA-N
MW312.34 g/mol
LogP0.48
Rot. Bonds4

About N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine

N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine (PubChem CID 134072304) has the molecular formula C14H16N8O and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine
PubChem CID134072304
Molecular FormulaC14H16N8O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC NameN-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine
SMILESCn1nccc1-c1nnn2c1COC(CNc1ncccn1)C2
InChIInChI=1S/C14H16N8O/c1-21-11(3-6-18-21)13-12-9-23-10(8-22(12)20-19-13)7-17-14-15-4-2-5-16-14/h2-6,10H,7-9H2,1H3,(H,15,16,17)
InChIKeyYRKVTBOPUSUBCN-UHFFFAOYSA-N
XLogP0.48
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
CID 97391387
2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
CID 97391396
N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridin-2-amine
CID 134073796
N-[[3-(2-methylpyrazol-3-yl)-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]oxan-4-amine
CID 118746570
1-[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 97469248
1-[(6S)-3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 97469366
2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide
CID 118743015
N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide
CID 131647206
1-[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 97383651
N-[(1-methylpyrazol-4-yl)methyl]-1-[(6S)-3-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
CID 97383673
N-[(4-methoxyphenyl)methyl]-1-[(6R)-3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
CID 97383696
N-[(4-fluorophenyl)methyl]-1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine
CID 131657023

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine (CID 134072304) is N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine is Cn1nccc1-c1nnn2c1COC(CNc1ncccn1)C2.
What is the InChIKey of N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine?
The InChIKey is YRKVTBOPUSUBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O/c1-21-11(3-6-18-21)13-12-9-23-10(8-22(12)20-19-13)7-17-14-15-4-2-5-16-14/h2-6,10H,7-9H2,1H3,(H,15,16,17).
What are the key properties of N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine?
N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine has a molecular weight of 312.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 134072304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).