(Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine

C6H12N6 — CID 168912786

IUPAC(Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine
SMILESCc1nc(CN(N)/C=C\N)n[nH]1
InChIInChI=1S/C6H12N6/c1-5-9-6(11-10-5)4-12(8)3-2-7/h2-3H,4,7-8H2,1H3,(H,9,10,11)/b3-2-
InChIKeyFZBAKISINKOQJL-IHWYPQMZSA-N
MW168.20 g/mol
LogP-0.78
Rot. Bonds3

About (Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine

(Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine (PubChem CID 168912786) has the molecular formula C6H12N6 and a molecular weight of 168.20 g/mol. Its IUPAC name is (Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine.

Molecular Properties

Compound Name(Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine
PubChem CID168912786
Molecular FormulaC6H12N6
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name(Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine
SMILESCc1nc(CN(N)/C=C\N)n[nH]1
InChIInChI=1S/C6H12N6/c1-5-9-6(11-10-5)4-12(8)3-2-7/h2-3H,4,7-8H2,1H3,(H,9,10,11)/b3-2-
InChIKeyFZBAKISINKOQJL-IHWYPQMZSA-N
XLogP-0.78
TPSA96.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-1-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]guanidine
CID 77045933
ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
CID 144769727
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
CID 64512501
prop-2-enyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate
CID 64512401
2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64517864
2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
CID 79811921
3-ethyl-1-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiourea
CID 116508871
N-cyclopropyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxetan-3-amine
CID 128569851
3-(2-chloroethyl)-5-methyl-1H-1,2,4-triazole;hydrochloride
CID 146155711
4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
CID 80545123
3-amino-3-hydroxyimino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 77045913

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine?
The IUPAC name of (Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine (CID 168912786) is (Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine.
What is the SMILES notation for (Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine?
The canonical SMILES for (Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine is Cc1nc(CN(N)/C=C\N)n[nH]1.
What is the InChIKey of (Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine?
The InChIKey is FZBAKISINKOQJL-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H12N6/c1-5-9-6(11-10-5)4-12(8)3-2-7/h2-3H,4,7-8H2,1H3,(H,9,10,11)/b3-2-.
What are the key properties of (Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine?
(Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine has a molecular weight of 168.20 g/mol, XLogP of -0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]ethenamine is sourced from PubChem (CID 168912786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).