3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine

C14H21N7 — CID 30956686

IUPAC3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESNCc1cn(C2CCN(Cc3cccnc3N)CC2)nn1
InChIInChI=1S/C14H21N7/c15-8-12-10-21(19-18-12)13-3-6-20(7-4-13)9-11-2-1-5-17-14(11)16/h1-2,5,10,13H,3-4,6-9,15H2,(H2,16,17)
InChIKeyBRWVSXHLIQRBDA-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.55
Rot. Bonds4

About 3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine

3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 30956686) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine
PubChem CID30956686
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESNCc1cn(C2CCN(Cc3cccnc3N)CC2)nn1
InChIInChI=1S/C14H21N7/c15-8-12-10-21(19-18-12)13-3-6-20(7-4-13)9-11-2-1-5-17-14(11)16/h1-2,5,10,13H,3-4,6-9,15H2,(H2,16,17)
InChIKeyBRWVSXHLIQRBDA-UHFFFAOYSA-N
XLogP0.55
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine (CID 30956686) is 3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine is NCc1cn(C2CCN(Cc3cccnc3N)CC2)nn1.
What is the InChIKey of 3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is BRWVSXHLIQRBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c15-8-12-10-21(19-18-12)13-3-6-20(7-4-13)9-11-2-1-5-17-14(11)16/h1-2,5,10,13H,3-4,6-9,15H2,(H2,16,17).
What are the key properties of 3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine?
3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 30956686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).