[4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine

C15H28N6 — CID 102800983

IUPAC[4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2n[nH]c(CCN3CCCC3)n2)CC1
InChIInChI=1S/C15H28N6/c1-15(12-16)5-10-21(11-6-15)14-17-13(18-19-14)4-9-20-7-2-3-8-20/h2-12,16H2,1H3,(H,17,18,19)
InChIKeySGGPRWBABZJARV-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.01
Rot. Bonds5

About [4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine

[4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (PubChem CID 102800983) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is [4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
PubChem CID102800983
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name[4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2n[nH]c(CCN3CCCC3)n2)CC1
InChIInChI=1S/C15H28N6/c1-15(12-16)5-10-21(11-6-15)14-17-13(18-19-14)4-9-20-7-2-3-8-20/h2-12,16H2,1H3,(H,17,18,19)
InChIKeySGGPRWBABZJARV-UHFFFAOYSA-N
XLogP1.01
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799576
[1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800942
[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800850
[3-methyl-1-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799408
[1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 136836621
[4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800962
[4-methyl-1-[5-(1,3-thiazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800824
[4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800830
2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 83884650
[1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 102800974
[1-[5-(5-bromo-4-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 102800873
[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160419

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The IUPAC name of [4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (CID 102800983) is [4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is CC1(CN)CCN(c2n[nH]c(CCN3CCCC3)n2)CC1.
What is the InChIKey of [4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The InChIKey is SGGPRWBABZJARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-15(12-16)5-10-21(11-6-15)14-17-13(18-19-14)4-9-20-7-2-3-8-20/h2-12,16H2,1H3,(H,17,18,19).
What are the key properties of [4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
[4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine has a molecular weight of 292.43 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 102800983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).