N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine

C15H22ClN5 — CID 105160466

IUPACN-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncnn1C(C)C)c1ccncc1Cl
InChIInChI=1S/C15H22ClN5/c1-4-6-18-14(12-5-7-17-9-13(12)16)8-15-19-10-20-21(15)11(2)3/h5,7,9-11,14,18H,4,6,8H2,1-3H3
InChIKeySQZZJYCJYVNXKH-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.19
Rot. Bonds7

About N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine

N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine (PubChem CID 105160466) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
PubChem CID105160466
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC NameN-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncnn1C(C)C)c1ccncc1Cl
InChIInChI=1S/C15H22ClN5/c1-4-6-18-14(12-5-7-17-9-13(12)16)8-15-19-10-20-21(15)11(2)3/h5,7,9-11,14,18H,4,6,8H2,1-3H3
InChIKeySQZZJYCJYVNXKH-UHFFFAOYSA-N
XLogP3.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539
N-[1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 107968525
N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105180389
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 107892473
1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 105078256
N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107654
N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 105144863
1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159465
N-ethyl-1-(2-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999681
1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 105146058
N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine
CID 105157249
1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine
CID 105139865

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine (CID 105160466) is N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ncnn1C(C)C)c1ccncc1Cl.
What is the InChIKey of N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
The InChIKey is SQZZJYCJYVNXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5/c1-4-6-18-14(12-5-7-17-9-13(12)16)8-15-19-10-20-21(15)11(2)3/h5,7,9-11,14,18H,4,6,8H2,1-3H3.
What are the key properties of N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine has a molecular weight of 307.83 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105160466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).