[1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine

C9H17N5 — CID 130486423

IUPAC[1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine
SMILESCn1nncc1N1CCC(CN)CC1
InChIInChI=1S/C9H17N5/c1-13-9(7-11-12-13)14-4-2-8(6-10)3-5-14/h7-8H,2-6,10H2,1H3
InChIKeyXBBXSGIJRPUKDU-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.01
Rot. Bonds2

About [1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine

[1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine (PubChem CID 130486423) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is [1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine
PubChem CID130486423
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name[1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine
SMILESCn1nncc1N1CCC(CN)CC1
InChIInChI=1S/C9H17N5/c1-13-9(7-11-12-13)14-4-2-8(6-10)3-5-14/h7-8H,2-6,10H2,1H3
InChIKeyXBBXSGIJRPUKDU-UHFFFAOYSA-N
XLogP-0.01
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyltriazol-4-yl)piperidin-4-ol
CID 130486844
2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine
CID 114222622
1-(2-bromoethyl)-4-(3-methyltriazol-4-yl)piperazine
CID 130487114
[1-(2-methylpyrimidin-5-yl)piperidin-4-yl]methanamine
CID 83820134
(3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol
CID 130486903
1-(3-methyltriazol-4-yl)-1,4-diazepane
CID 114689941
[1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 106552311
[1-(1,2,4-triazin-6-yl)piperidin-4-yl]methanamine
CID 112709666
[1-(1-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 62132388
[2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 114223076
[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine
CID 79400151
3-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-2H-1,3-thiazol-5-amine
CID 141377694

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine (CID 130486423) is [1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine is Cn1nncc1N1CCC(CN)CC1.
What is the InChIKey of [1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine?
The InChIKey is XBBXSGIJRPUKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-13-9(7-11-12-13)14-4-2-8(6-10)3-5-14/h7-8H,2-6,10H2,1H3.
What are the key properties of [1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine?
[1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 130486423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).