3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine

C7H12N8 — CID 66276448

IUPAC3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCC(Nc1n[nH]c(N)n1)c1nncn1C
InChIInChI=1S/C7H12N8/c1-4(5-12-9-3-15(5)2)10-7-11-6(8)13-14-7/h3-4H,1-2H3,(H4,8,10,11,13,14)
InChIKeyLEVZRMYPTVPRSD-UHFFFAOYSA-N
MW208.23 g/mol
LogP-0.31
Rot. Bonds3

About 3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66276448) has the molecular formula C7H12N8 and a molecular weight of 208.23 g/mol. Its IUPAC name is 3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID66276448
Molecular FormulaC7H12N8
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCC(Nc1n[nH]c(N)n1)c1nncn1C
InChIInChI=1S/C7H12N8/c1-4(5-12-9-3-15(5)2)10-7-11-6(8)13-14-7/h3-4H,1-2H3,(H4,8,10,11,13,14)
InChIKeyLEVZRMYPTVPRSD-UHFFFAOYSA-N
XLogP-0.31
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 62118630
4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357
4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine
CID 82237287
3-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276447
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204246
6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80822860
4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80902877
1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea
CID 62116971
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80822126
2,6-difluoro-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-diamine
CID 55037691
4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 112685187
4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenecarbothioamide
CID 55038202

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine (CID 66276448) is 3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine is CC(Nc1n[nH]c(N)n1)c1nncn1C.
What is the InChIKey of 3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is LEVZRMYPTVPRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N8/c1-4(5-12-9-3-15(5)2)10-7-11-6(8)13-14-7/h3-4H,1-2H3,(H4,8,10,11,13,14).
What are the key properties of 3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 208.23 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66276448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).