N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine

C13H19N7 — CID 62757757

IUPACN-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCn1cc(CNC2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C13H19N7/c1-19-10-12(17-18-19)9-16-11-3-7-20(8-4-11)13-14-5-2-6-15-13/h2,5-6,10-11,16H,3-4,7-9H2,1H3
InChIKeyUGIFJXOEQRQAGB-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.36
Rot. Bonds4

About N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine

N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 62757757) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID62757757
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCn1cc(CNC2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C13H19N7/c1-19-10-12(17-18-19)9-16-11-3-7-20(8-4-11)13-14-5-2-6-15-13/h2,5-6,10-11,16H,3-4,7-9H2,1H3
InChIKeyUGIFJXOEQRQAGB-UHFFFAOYSA-N
XLogP0.36
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107054010
N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 62761801
3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-amine
CID 115671466
N-(pyridin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675588
(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine
CID 130670945
N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine
CID 127015751
N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43779441
N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675593
2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115563730
N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 55113792
N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 56814864

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine (CID 62757757) is N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine is Cn1cc(CNC2CCN(c3ncccn3)CC2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is UGIFJXOEQRQAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-19-10-12(17-18-19)9-16-11-3-7-20(8-4-11)13-14-5-2-6-15-13/h2,5-6,10-11,16H,3-4,7-9H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 62757757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).