N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

C13H19N7 — CID 126887317

IUPACN-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCn1nncc1CN1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C13H19N7/c1-19-12(8-16-18-19)9-20-6-3-11(4-7-20)17-13-2-5-14-10-15-13/h2,5,8,10-11H,3-4,6-7,9H2,1H3,(H,14,15,17)
InChIKeyTUSROAZYWFFYDW-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.68
Rot. Bonds4

About N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887317) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887317
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCn1nncc1CN1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C13H19N7/c1-19-12(8-16-18-19)9-20-6-3-11(4-7-20)17-13-2-5-14-10-15-13/h2,5,8,10-11H,3-4,6-7,9H2,1H3,(H,14,15,17)
InChIKeyTUSROAZYWFFYDW-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887741
N-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887360
N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887336
5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine
CID 129334899
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887338
N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171994913
1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one
CID 126887389
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine
CID 138038763
N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887356
N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172893096

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126887317) is N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is Cn1nncc1CN1CCC(Nc2ccncn2)CC1.
What is the InChIKey of N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is TUSROAZYWFFYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-19-12(8-16-18-19)9-20-6-3-11(4-7-20)17-13-2-5-14-10-15-13/h2,5,8,10-11H,3-4,6-7,9H2,1H3,(H,14,15,17).
What are the key properties of N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).