N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine

C8H16N4 — CID 62696832

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCCn1ncnc1CNC(C)C
InChIInChI=1S/C8H16N4/c1-4-12-8(10-6-11-12)5-9-7(2)3/h6-7,9H,4-5H2,1-3H3
InChIKeyPFWAOSONZSNJMZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.80
Rot. Bonds4

About N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine (PubChem CID 62696832) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
PubChem CID62696832
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCCn1ncnc1CNC(C)C
InChIInChI=1S/C8H16N4/c1-4-12-8(10-6-11-12)5-9-7(2)3/h6-7,9H,4-5H2,1-3H3
InChIKeyPFWAOSONZSNJMZ-UHFFFAOYSA-N
XLogP0.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-cyclopentyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81395391
(1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81387532
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 115955140
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine
CID 79101247
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
CID 83228490
N-[[2-[(3-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 103041255
N-[(2-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 107447540
1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151899
4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017782
1-(2-ethyl-1,2,4-triazol-3-yl)-3-hydroxybutan-2-one
CID 103451467

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine (CID 62696832) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine is CCn1ncnc1CNC(C)C.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The InChIKey is PFWAOSONZSNJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-12-8(10-6-11-12)5-9-7(2)3/h6-7,9H,4-5H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 62696832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).