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

C12H17N5 — CID 135185533

IUPACN-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ncnn1-c1ccccn1
InChIInChI=1S/C12H17N5/c1-3-7-13-10(2)12-15-9-16-17(12)11-6-4-5-8-14-11/h4-6,8-10,13H,3,7H2,1-2H3
InChIKeyFFZDQSFCPJXXJG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.72
Rot. Bonds5

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

N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine (PubChem CID 135185533) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
PubChem CID135185533
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ncnn1-c1ccccn1
InChIInChI=1S/C12H17N5/c1-3-7-13-10(2)12-15-9-16-17(12)11-6-4-5-8-14-11/h4-6,8-10,13H,3,7H2,1-2H3
InChIKeyFFZDQSFCPJXXJG-UHFFFAOYSA-N
XLogP1.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 61272120
2-(5-methyl-1,2,4-triazol-1-yl)pyridine
CID 154284403
N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 61271924
3-chloro-N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 155434448
2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine
CID 107447271
N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
CID 64647935
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074
N-[1-(2-pyridin-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286336
1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-N-(thietan-3-ylmethyl)ethanamine
CID 146204853
N-[1-(2-pyridin-2-ylphenyl)ethyl]propan-1-amine
CID 63679644
2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine
CID 135185425
N-[(1,1-dioxothietan-3-yl)methyl]-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 146204854

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine (CID 135185533) is N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine is CCCNC(C)c1ncnn1-c1ccccn1.
What is the InChIKey of N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
The InChIKey is FFZDQSFCPJXXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-7-13-10(2)12-15-9-16-17(12)11-6-4-5-8-14-11/h4-6,8-10,13H,3,7H2,1-2H3.
What are the key properties of N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 135185533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).