N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine

C10H16N4O — CID 128569851

IUPACN-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine
SMILESCc1nc(CN(C2CC2)C2COC2)n[nH]1
InChIInChI=1S/C10H16N4O/c1-7-11-10(13-12-7)4-14(8-2-3-8)9-5-15-6-9/h8-9H,2-6H2,1H3,(H,11,12,13)
InChIKeyNEQFPEGLAMOKMY-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.48
Rot. Bonds4

About N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine

N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine (PubChem CID 128569851) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine
PubChem CID128569851
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine
SMILESCc1nc(CN(C2CC2)C2COC2)n[nH]1
InChIInChI=1S/C10H16N4O/c1-7-11-10(13-12-7)4-14(8-2-3-8)9-5-15-6-9/h8-9H,2-6H2,1H3,(H,11,12,13)
InChIKeyNEQFPEGLAMOKMY-UHFFFAOYSA-N
XLogP0.48
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 64512005
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
CID 64512501
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64512377
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115891158
4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 64511192
1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 64510407
(2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 103814748
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 115891216
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 154759156
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 64519602
ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
CID 144769727
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 115891208

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine?
The IUPAC name of N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine (CID 128569851) is N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine is Cc1nc(CN(C2CC2)C2COC2)n[nH]1.
What is the InChIKey of N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine?
The InChIKey is NEQFPEGLAMOKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-11-10(13-12-7)4-14(8-2-3-8)9-5-15-6-9/h8-9H,2-6H2,1H3,(H,11,12,13).
What are the key properties of N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine?
N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine has a molecular weight of 208.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 128569851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).