N'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine

C14H27N5 — CID 107078389

IUPACN'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCCN(Cc1nnc2n1CCCC2)CC(C)(C)CN
InChIInChI=1S/C14H27N5/c1-4-18(11-14(2,3)10-15)9-13-17-16-12-7-5-6-8-19(12)13/h4-11,15H2,1-3H3
InChIKeyXWPYFZWZIGFBRX-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.42
Rot. Bonds6

About N'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine (PubChem CID 107078389) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine
PubChem CID107078389
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCCN(Cc1nnc2n1CCCC2)CC(C)(C)CN
InChIInChI=1S/C14H27N5/c1-4-18(11-14(2,3)10-15)9-13-17-16-12-7-5-6-8-19(12)13/h4-11,15H2,1-3H3
InChIKeyXWPYFZWZIGFBRX-UHFFFAOYSA-N
XLogP1.42
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine (CID 107078389) is N'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine is CCN(Cc1nnc2n1CCCC2)CC(C)(C)CN.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine?
The InChIKey is XWPYFZWZIGFBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-4-18(11-14(2,3)10-15)9-13-17-16-12-7-5-6-8-19(12)13/h4-11,15H2,1-3H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 107078389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).