N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

C12H18N6 — CID 62588189

IUPACN-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(N(C)CCNC2CC2)n2ncnc2n1
InChIInChI=1S/C12H18N6/c1-9-7-11(18-12(16-9)14-8-15-18)17(2)6-5-13-10-3-4-10/h7-8,10,13H,3-6H2,1-2H3
InChIKeyYPVRAUVUHWJDNW-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.62
Rot. Bonds5

About N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (PubChem CID 62588189) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
PubChem CID62588189
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(N(C)CCNC2CC2)n2ncnc2n1
InChIInChI=1S/C12H18N6/c1-9-7-11(18-12(16-9)14-8-15-18)17(2)6-5-13-10-3-4-10/h7-8,10,13H,3-6H2,1-2H3
InChIKeyYPVRAUVUHWJDNW-UHFFFAOYSA-N
XLogP0.62
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Trapidil
CID 5531
5-Methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-amine
CID 169505
(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N-ethyl-5-methyl-
CID 40136
2-Methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1480446
N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3226946
5-methyl-N-(prop-2-yn-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 645877
N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259244
7-(2,7-Diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 162659086
5-methyl-N-{5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-6-yl}-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53568177
N1,N1-diethyl-N4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentane-1,4-diamine
CID 71596120
7-Hydrazinyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 520838
N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17986622

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (CID 62588189) is N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is Cc1cc(N(C)CCNC2CC2)n2ncnc2n1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The InChIKey is YPVRAUVUHWJDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-9-7-11(18-12(16-9)14-8-15-18)17(2)6-5-13-10-3-4-10/h7-8,10,13H,3-6H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine has a molecular weight of 246.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 62588189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).