N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine

C14H26N4 — CID 43746948

IUPACN-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1nnc2n1CCCCC2
InChIInChI=1S/C14H26N4/c1-4-8-11(2)15-12(3)14-17-16-13-9-6-5-7-10-18(13)14/h11-12,15H,4-10H2,1-3H3
InChIKeyUGVNNWKJLLEFCK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.84
Rot. Bonds5

About N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine

N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine (PubChem CID 43746948) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine
PubChem CID43746948
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1nnc2n1CCCCC2
InChIInChI=1S/C14H26N4/c1-4-8-11(2)15-12(3)14-17-16-13-9-6-5-7-10-18(13)14/h11-12,15H,4-10H2,1-3H3
InChIKeyUGVNNWKJLLEFCK-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]hexan-3-amine
CID 103920945
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexan-2-amine
CID 43791499
5-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]heptan-3-amine
CID 43746945
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pentan-3-amine
CID 43748148
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 81056956
(1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 96511930
2,2-dimethyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propan-1-amine
CID 61325147
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(4-ethylphenyl)ethanamine
CID 43748123
N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]hexanamide
CID 94069831
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64630966
N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohexanamine
CID 43746944
1-(5-methylfuran-2-yl)-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]ethanamine
CID 43746959

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine (CID 43746948) is N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine is CCCC(C)NC(C)c1nnc2n1CCCCC2.
What is the InChIKey of N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine?
The InChIKey is UGVNNWKJLLEFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-8-11(2)15-12(3)14-17-16-13-9-6-5-7-10-18(13)14/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine?
N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 43746948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).