N-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine

C15H17N5 — CID 107451430

IUPACN-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnnn1-c1cccc2cnccc12
InChIInChI=1S/C15H17N5/c1-11(2)17-9-13-10-18-19-20(13)15-5-3-4-12-8-16-7-6-14(12)15/h3-8,10-11,17H,9H2,1-2H3
InChIKeyHDTVNVRARNSOHE-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.31
Rot. Bonds4

About N-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine

N-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine (PubChem CID 107451430) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine
PubChem CID107451430
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnnn1-c1cccc2cnccc12
InChIInChI=1S/C15H17N5/c1-11(2)17-9-13-10-18-19-20(13)15-5-3-4-12-8-16-7-6-14(12)15/h3-8,10-11,17H,9H2,1-2H3
InChIKeyHDTVNVRARNSOHE-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-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine
CID 66205487
N-[[3-(2-bromo-3-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451806
5-(5-methylpyrazol-1-yl)isoquinoline
CID 139907357
N-[[3-(2,3,4,5,6-pentafluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451826
N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine
CID 62823531
5-pyrrolidin-1-ylisoquinoline
CID 82582558
N-[[3-(3-chloro-2-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107451294
N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107450996
N-[[3-(4-bromo-3-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451365
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
N-[[3-(3-chloro-4-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451022
N-[[3-(4-fluoro-3-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451588

Frequently Asked Questions

What is the IUPAC name of N-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine (CID 107451430) is N-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine is CC(C)NCc1cnnn1-c1cccc2cnccc12.
What is the InChIKey of N-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine?
The InChIKey is HDTVNVRARNSOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11(2)17-9-13-10-18-19-20(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-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine?
N-[(3-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-[(3-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 107451430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).