5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine

C8H15N5 — CID 112597063

IUPAC5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(CNC2CC2)n1C
InChIInChI=1S/C8H15N5/c1-9-8-12-11-7(13(8)2)5-10-6-3-4-6/h6,10H,3-5H2,1-2H3,(H,9,12)
InChIKeySJKQDVWFHICURV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.11
Rot. Bonds4

About 5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine

5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112597063) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112597063
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(CNC2CC2)n1C
InChIInChI=1S/C8H15N5/c1-9-8-12-11-7(13(8)2)5-10-6-3-4-6/h6,10H,3-5H2,1-2H3,(H,9,12)
InChIKeySJKQDVWFHICURV-UHFFFAOYSA-N
XLogP0.11
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
CID 112596552
5-(2-methoxyethyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596487
5-(3-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597174
4-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]butan-1-ol
CID 112596388
N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 61361161
3-[5-(cyclopropylamino)-4-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 83884997
N,4-dimethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 112596405
methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117257174
5-[(2-aminophenyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597117
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
CID 60762129
N,4-dimethyl-5-[3-(propan-2-ylamino)propyl]-1,2,4-triazol-3-amine
CID 112597231
N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 62720879

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112597063) is 5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(CNC2CC2)n1C.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is SJKQDVWFHICURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-9-8-12-11-7(13(8)2)5-10-6-3-4-6/h6,10H,3-5H2,1-2H3,(H,9,12).
What are the key properties of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).