2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine

C10H18N4 — CID 115716745

IUPAC2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine
SMILESCC(CCn1cncn1)NC1CC1C
InChIInChI=1S/C10H18N4/c1-8-5-10(8)13-9(2)3-4-14-7-11-6-12-14/h6-10,13H,3-5H2,1-2H3
InChIKeyBIUAFLJMXGQCKP-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.05
Rot. Bonds5

About 2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine

2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine (PubChem CID 115716745) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine
PubChem CID115716745
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine
SMILESCC(CCn1cncn1)NC1CC1C
InChIInChI=1S/C10H18N4/c1-8-5-10(8)13-9(2)3-4-14-7-11-6-12-14/h6-10,13H,3-5H2,1-2H3
InChIKeyBIUAFLJMXGQCKP-UHFFFAOYSA-N
XLogP1.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine
CID 115714390
3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine
CID 115707201
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-2-amine
CID 115726756
3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine
CID 115712768
(1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine
CID 124845430
[1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol
CID 115928015
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine
CID 115705346
(2R)-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 129331874
N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 128999444
N-(3-methoxypropyl)-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 115705135
1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide
CID 75376817
N-(4-methoxybutyl)-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 115709725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine?
The IUPAC name of 2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine (CID 115716745) is 2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine?
The canonical SMILES for 2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine is CC(CCn1cncn1)NC1CC1C.
What is the InChIKey of 2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine?
The InChIKey is BIUAFLJMXGQCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-5-10(8)13-9(2)3-4-14-7-11-6-12-14/h6-10,13H,3-5H2,1-2H3.
What are the key properties of 2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine?
2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 115716745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).