N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine

C15H17N5 — CID 66205487

IUPACN-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cn(-c2cccc3cnccc23)nn1
InChIInChI=1S/C15H17N5/c1-11(2)17-9-13-10-20(19-18-13)15-5-3-4-12-8-16-7-6-14(12)15/h3-8,10-11,17H,9H2,1-2H3
InChIKeyYHMNGWPGDNRMJE-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.31
Rot. Bonds4

About N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine

N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine (PubChem CID 66205487) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine
PubChem CID66205487
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cn(-c2cccc3cnccc23)nn1
InChIInChI=1S/C15H17N5/c1-11(2)17-9-13-10-20(19-18-13)15-5-3-4-12-8-16-7-6-14(12)15/h3-8,10-11,17H,9H2,1-2H3
InChIKeyYHMNGWPGDNRMJE-UHFFFAOYSA-N
XLogP2.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine
CID 66206266
N-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine
CID 107451430
N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66206254
5-[4-(piperidin-3-ylmethyl)triazol-1-yl]isoquinoline
CID 146107072
N-[[1-(2-tert-butylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66204889
(3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine
CID 154787561
2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide
CID 114778064
N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine
CID 66206716
N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66205044
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194729
N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66205643
N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66205038

Frequently Asked Questions

What is the IUPAC name of N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine (CID 66205487) is N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine is CC(C)NCc1cn(-c2cccc3cnccc23)nn1.
What is the InChIKey of N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine?
The InChIKey is YHMNGWPGDNRMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11(2)17-9-13-10-20(19-18-13)15-5-3-4-12-8-16-7-6-14(12)15/h3-8,10-11,17H,9H2,1-2H3.
What are the key properties of N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine?
N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66205487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).