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

C9H13N7 — CID 62118630

IUPAC2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine
SMILESCC(Nc1ncc(N)cn1)c1nncn1C
InChIInChI=1S/C9H13N7/c1-6(8-15-13-5-16(8)2)14-9-11-3-7(10)4-12-9/h3-6H,10H2,1-2H3,(H,11,12,14)
InChIKeyGADGHBZMXMLTOL-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.36
Rot. Bonds3

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

2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine (PubChem CID 62118630) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine
PubChem CID62118630
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine
SMILESCC(Nc1ncc(N)cn1)c1nncn1C
InChIInChI=1S/C9H13N7/c1-6(8-15-13-5-16(8)2)14-9-11-3-7(10)4-12-9/h3-6H,10H2,1-2H3,(H,11,12,14)
InChIKeyGADGHBZMXMLTOL-UHFFFAOYSA-N
XLogP0.36
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276448
5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 62118812
4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357
2,6-difluoro-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-diamine
CID 55037691
4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4,5-diamine
CID 82237287
6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80822860
2-methyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-diamine
CID 55037646
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80822126
5-chloro-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 113372633
4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 112685187
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204246
1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 62118811

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine (CID 62118630) is 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine is CC(Nc1ncc(N)cn1)c1nncn1C.
What is the InChIKey of 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine?
The InChIKey is GADGHBZMXMLTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c1-6(8-15-13-5-16(8)2)14-9-11-3-7(10)4-12-9/h3-6H,10H2,1-2H3,(H,11,12,14).
What are the key properties of 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine?
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine has a molecular weight of 219.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 62118630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).