3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine

C5H8N8 — CID 57141506

IUPAC3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine
SMILESCC1=NC(N)(c2nc(N)n[nH]2)N=N1
InChIInChI=1S/C5H8N8/c1-2-9-5(7,13-10-2)3-8-4(6)12-11-3/h7H2,1H3,(H3,6,8,11,12)
InChIKeyDMVVMOFUTZIDCY-UHFFFAOYSA-N
MW180.18 g/mol
LogP-0.66
Rot. Bonds1

About 3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine

3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine (PubChem CID 57141506) has the molecular formula C5H8N8 and a molecular weight of 180.18 g/mol. Its IUPAC name is 3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine
PubChem CID57141506
Molecular FormulaC5H8N8
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine
SMILESCC1=NC(N)(c2nc(N)n[nH]2)N=N1
InChIInChI=1S/C5H8N8/c1-2-9-5(7,13-10-2)3-8-4(6)12-11-3/h7H2,1H3,(H3,6,8,11,12)
InChIKeyDMVVMOFUTZIDCY-UHFFFAOYSA-N
XLogP-0.66
TPSA130.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-Amino-5-methyl-4H-1,2,4-triazole
CID 234610
1H-1,2,4-Triazole, 3,5-dimethyl-
CID 139001
5-Methyl-4H-1,2,4-triazole-3,4-diamine
CID 574645
5-(propan-2-yl)-4H-1,2,4-triazol-3-amine
CID 2756463
5,5'-Diamino-3,3'-bis-1,2,4-triazole
CID 573397
3-ethyl-1H-1,2,4-triazol-5-amine
CID 1714204
1H-1,2,4-Triazole, 3-azido-5-methyl-
CID 135470574
5-(aminomethyl)-1H-1,2,4-triazol-3-amine dihydrochloride
CID 53444473
5-(aminomethyl)-1H-1,2,4-triazol-3-amine hydrochloride
CID 56763135
1H-1,2,4-Triazol-3-amine, N,5-dimethyl-
CID 12252708
1-(5-Methyl-1H-1,2,4-triazol-3-yl)methanamine
CID 1382012
(3-methyl-1H-1,2,4-triazol-5-yl)methanamine hydrochloride
CID 52988119

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine (CID 57141506) is 3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine is CC1=NC(N)(c2nc(N)n[nH]2)N=N1.
What is the InChIKey of 3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine?
The InChIKey is DMVVMOFUTZIDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N8/c1-2-9-5(7,13-10-2)3-8-4(6)12-11-3/h7H2,1H3,(H3,6,8,11,12).
What are the key properties of 3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine?
3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine has a molecular weight of 180.18 g/mol, XLogP of -0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-1,2,4-triazol-5-yl)-5-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 57141506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).