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

C8H15N5 — CID 112597085

IUPAC5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C(N)C2CC2)n1C
InChIInChI=1S/C8H15N5/c1-10-8-12-11-7(13(8)2)6(9)5-3-4-5/h5-6H,3-4,9H2,1-2H3,(H,10,12)
InChIKeyNBDGZXBZYKQAIH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.27
Rot. Bonds3

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

5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112597085) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112597085
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C(N)C2CC2)n1C
InChIInChI=1S/C8H15N5/c1-10-8-12-11-7(13(8)2)6(9)5-3-4-5/h5-6H,3-4,9H2,1-2H3,(H,10,12)
InChIKeyNBDGZXBZYKQAIH-UHFFFAOYSA-N
XLogP0.27
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597041
5-(1-aminobut-3-enyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597183
5-[(S)-amino(phenyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 104899191
5-[(R)-amino(phenyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 104899192
5-[(1S)-1-amino-2-phenylethyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 104902560
5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596396
5-[(cyclopropylamino)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597063
5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597131
cyclopropyl(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methanamine
CID 62696504
cyclopropyl-(1-methyltriazol-4-yl)methanamine
CID 130521601
5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596424
cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine
CID 61377042

Frequently Asked Questions

What is the IUPAC name of 5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112597085) is 5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(C(N)C2CC2)n1C.
What is the InChIKey of 5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is NBDGZXBZYKQAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-10-8-12-11-7(13(8)2)6(9)5-3-4-5/h5-6H,3-4,9H2,1-2H3,(H,10,12).
What are the key properties of 5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).