N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine

C13H18N6 — CID 55113792

IUPACN-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCn1cc(CNc2cccnc2N2CCCC2)nn1
InChIInChI=1S/C13H18N6/c1-18-10-11(16-17-18)9-15-12-5-4-6-14-13(12)19-7-2-3-8-19/h4-6,10,15H,2-3,7-9H2,1H3
InChIKeyJCWUWUYZDGNPAX-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.42
Rot. Bonds4

About N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine

N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 55113792) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
PubChem CID55113792
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCn1cc(CNc2cccnc2N2CCCC2)nn1
InChIInChI=1S/C13H18N6/c1-18-10-11(16-17-18)9-15-12-5-4-6-14-13(12)19-7-2-3-8-19/h4-6,10,15H,2-3,7-9H2,1H3
InChIKeyJCWUWUYZDGNPAX-UHFFFAOYSA-N
XLogP1.42
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 62761986
8-methyl-N-[(1-methyltriazol-4-yl)methyl]quinolin-5-amine
CID 55113701
2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756659
N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676368
N-[(5-methylfuran-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676423
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 114555031
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755411
N-(furan-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676420
N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 66384847
2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
CID 55060167
2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831402
N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine (CID 55113792) is N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine is Cn1cc(CNc2cccnc2N2CCCC2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is JCWUWUYZDGNPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-18-10-11(16-17-18)9-15-12-5-4-6-14-13(12)19-7-2-3-8-19/h4-6,10,15H,2-3,7-9H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 258.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 55113792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).