2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C10H13N7O — CID 80853473

IUPAC2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CCOC2)nc(-n2cccn2)n1
InChIInChI=1S/C10H13N7O/c11-8-14-9(13-7-2-5-18-6-7)16-10(15-8)17-4-1-3-12-17/h1,3-4,7H,2,5-6H2,(H3,11,13,14,15,16)
InChIKeyZNBILUCWROJMND-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.16
Rot. Bonds3

About 2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80853473) has the molecular formula C10H13N7O and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80853473
Molecular FormulaC10H13N7O
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CCOC2)nc(-n2cccn2)n1
InChIInChI=1S/C10H13N7O/c11-8-14-9(13-7-2-5-18-6-7)16-10(15-8)17-4-1-3-12-17/h1,3-4,7H,2,5-6H2,(H3,11,13,14,15,16)
InChIKeyZNBILUCWROJMND-UHFFFAOYSA-N
XLogP-0.16
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80853918
4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80907252
2-N-(oxan-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846232
2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80825648
2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80778221
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
N-cyclobutyl-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80919597
2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80789723
6-methoxy-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80854102
N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764921
4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80891024

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80853473) is 2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(NC2CCOC2)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZNBILUCWROJMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O/c11-8-14-9(13-7-2-5-18-6-7)16-10(15-8)17-4-1-3-12-17/h1,3-4,7H,2,5-6H2,(H3,11,13,14,15,16).
What are the key properties of 2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 247.26 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80853473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).