1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine

C12H18N6 — CID 107589592

IUPAC1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine
SMILESCCc1c(C(CC)NC)nnn1-c1cncnc1
InChIInChI=1S/C12H18N6/c1-4-10(13-3)12-11(5-2)18(17-16-12)9-6-14-8-15-7-9/h6-8,10,13H,4-5H2,1-3H3
InChIKeyRMWUZKLQLLHKSP-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.29
Rot. Bonds5

About 1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine

1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine (PubChem CID 107589592) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine
PubChem CID107589592
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine
SMILESCCc1c(C(CC)NC)nnn1-c1cncnc1
InChIInChI=1S/C12H18N6/c1-4-10(13-3)12-11(5-2)18(17-16-12)9-6-14-8-15-7-9/h6-8,10,13H,4-5H2,1-3H3
InChIKeyRMWUZKLQLLHKSP-UHFFFAOYSA-N
XLogP1.29
TPSA68.52 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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3,4-difluorophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431541
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431439
1-[1-(3-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431788
1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107622879
1-[1-(2,4-dibromophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431655
1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431522
1-[1-(2-bromo-5-methylphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431748
1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431611
1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine
CID 107431483
1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431562
1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine
CID 107431554
1-[1-(2-chlorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431444

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine (CID 107589592) is 1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine is CCc1c(C(CC)NC)nnn1-c1cncnc1.
What is the InChIKey of 1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine?
The InChIKey is RMWUZKLQLLHKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-10(13-3)12-11(5-2)18(17-16-12)9-6-14-8-15-7-9/h6-8,10,13H,4-5H2,1-3H3.
What are the key properties of 1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine?
1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine has a molecular weight of 246.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 107589592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).