5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine

C6H12N6 — CID 115451904

IUPAC5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine
SMILESNCC1(c2nnc(N)n2N)CC1
InChIInChI=1S/C6H12N6/c7-3-6(1-2-6)4-10-11-5(8)12(4)9/h1-3,7,9H2,(H2,8,11)
InChIKeyIVSKVSNSPBHWKY-UHFFFAOYSA-N
MW168.20 g/mol
LogP-1.44
Rot. Bonds2

About 5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine

5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine (PubChem CID 115451904) has the molecular formula C6H12N6 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine
PubChem CID115451904
Molecular FormulaC6H12N6
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine
SMILESNCC1(c2nnc(N)n2N)CC1
InChIInChI=1S/C6H12N6/c7-3-6(1-2-6)4-10-11-5(8)12(4)9/h1-3,7,9H2,(H2,8,11)
InChIKeyIVSKVSNSPBHWKY-UHFFFAOYSA-N
XLogP-1.44
TPSA108.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine
CID 115437081
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine
CID 115451900
5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine
CID 82765244
[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 82597229
[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine
CID 115444888
[1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
CID 115443141
[1-(1-methylimidazol-2-yl)cyclopropyl]methanamine
CID 82026897
[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 115447062
[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cycloheptyl]methanamine
CID 115444483
5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597167
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
CID 115443144
[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentyl]methanamine
CID 115433694

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine (CID 115451904) is 5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine is NCC1(c2nnc(N)n2N)CC1.
What is the InChIKey of 5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine?
The InChIKey is IVSKVSNSPBHWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6/c7-3-6(1-2-6)4-10-11-5(8)12(4)9/h1-3,7,9H2,(H2,8,11).
What are the key properties of 5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine?
5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine has a molecular weight of 168.20 g/mol, XLogP of -1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 115451904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).