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

C9H17N5 — CID 102800213

IUPACN-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine
SMILESCNCC1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C9H17N5/c1-10-6-8-2-4-14(5-3-8)9-11-7-12-13-9/h7-8,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyNEAIFRUNMNSVLE-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.24
Rot. Bonds3

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

N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine (PubChem CID 102800213) 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-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine
PubChem CID102800213
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC NameN-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine
SMILESCNCC1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C9H17N5/c1-10-6-8-2-4-14(5-3-8)9-11-7-12-13-9/h7-8,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyNEAIFRUNMNSVLE-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine
CID 102799744
N-methyl-1-[1-(5-methyl-1H-imidazol-2-yl)piperidin-4-yl]methanamine
CID 106552662
1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid
CID 175941720
N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
CID 116976203
N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66332385
1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 106552650
N-methyl-1-[1-[5-(2-methylbutan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800149
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 115355317
1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one
CID 62928367
(2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide
CID 124752366
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022
1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116648585

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine (CID 102800213) is N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine is CNCC1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine?
The InChIKey is NEAIFRUNMNSVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-10-6-8-2-4-14(5-3-8)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-4-yl]methanamine?
N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-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-4-yl]methanamine is sourced from PubChem (CID 102800213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).