1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine

C17H29N5 — CID 84587882

IUPAC1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine
SMILESC1CCc2nnc(CNC3CCN(CC4CC4)CC3)n2CC1
InChIInChI=1S/C17H29N5/c1-2-4-16-19-20-17(22(16)9-3-1)12-18-15-7-10-21(11-8-15)13-14-5-6-14/h14-15,18H,1-13H2
InChIKeySVJIDGGFMBSFJM-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.97
Rot. Bonds5

About 1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine

1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine (PubChem CID 84587882) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine
PubChem CID84587882
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine
SMILESC1CCc2nnc(CNC3CCN(CC4CC4)CC3)n2CC1
InChIInChI=1S/C17H29N5/c1-2-4-16-19-20-17(22(16)9-3-1)12-18-15-7-10-21(11-8-15)13-14-5-6-14/h14-15,18H,1-13H2
InChIKeySVJIDGGFMBSFJM-UHFFFAOYSA-N
XLogP1.97
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine (CID 84587882) is 1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine is C1CCc2nnc(CNC3CCN(CC4CC4)CC3)n2CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine?
The InChIKey is SVJIDGGFMBSFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-2-4-16-19-20-17(22(16)9-3-1)12-18-15-7-10-21(11-8-15)13-14-5-6-14/h14-15,18H,1-13H2.
What are the key properties of 1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine?
1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine has a molecular weight of 303.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 84587882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).