N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine

C11H21N5 — CID 102875127

IUPACN'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCn1ncnc1CN(CCN)C1CCC1
InChIInChI=1S/C11H21N5/c1-2-16-11(13-9-14-16)8-15(7-6-12)10-4-3-5-10/h9-10H,2-8,12H2,1H3
InChIKeyHNIXMUWGXRICHT-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.61
Rot. Bonds6

About N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine

N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 102875127) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID102875127
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCn1ncnc1CN(CCN)C1CCC1
InChIInChI=1S/C11H21N5/c1-2-16-11(13-9-14-16)8-15(7-6-12)10-4-3-5-10/h9-10H,2-8,12H2,1H3
InChIKeyHNIXMUWGXRICHT-UHFFFAOYSA-N
XLogP0.61
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 102875207
4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79116068
N-(2-chloroethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutanamine
CID 102861301
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 77093844
N-(2-bromoethyl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 80668920
N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine
CID 102875128
(4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 99933859
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011017
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine
CID 102875201
2-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 80673751
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylcyclopentyl)ethanamine
CID 107189682

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine (CID 102875127) is N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine is CCn1ncnc1CN(CCN)C1CCC1.
What is the InChIKey of N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is HNIXMUWGXRICHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-2-16-11(13-9-14-16)8-15(7-6-12)10-4-3-5-10/h9-10H,2-8,12H2,1H3.
What are the key properties of N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine?
N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 102875127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).