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

C9H17N5 — CID 102799744

IUPACN-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2ncn[nH]2)C1
InChIInChI=1S/C9H17N5/c1-10-5-8-3-2-4-14(6-8)9-11-7-12-13-9/h7-8,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyATAVFWTTWRAEOO-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.24
Rot. Bonds3

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

N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine (PubChem CID 102799744) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine
PubChem CID102799744
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC NameN-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2ncn[nH]2)C1
InChIInChI=1S/C9H17N5/c1-10-5-8-3-2-4-14(6-8)9-11-7-12-13-9/h7-8,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyATAVFWTTWRAEOO-UHFFFAOYSA-N
XLogP0.24
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine
CID 102800213
N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine
CID 114994546
N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820
1-[1-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799650
1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 61313343
N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 62958741
N-methyl-1-[1-(5-pyridazin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799660
5-bromo-4-[3-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977679
5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 113321436
1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799675
N-methyl-1-[1-(thiatriazol-5-yl)piperidin-3-yl]methanamine
CID 117045202
1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
CID 86814436

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine (CID 102799744) is N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine is CNCC1CCCN(c2ncn[nH]2)C1.
What is the InChIKey of N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine?
The InChIKey is ATAVFWTTWRAEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-10-5-8-3-2-4-14(6-8)9-11-7-12-13-9/h7-8,10H,2-6H2,1H3,(H,11,12,13).
What are the key properties of N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine?
N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 102799744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).