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

C10H19N5 — CID 102875207

IUPACN'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
SMILESCn1ncnc1CN(CCN)C1CCC1
InChIInChI=1S/C10H19N5/c1-14-10(12-8-13-14)7-15(6-5-11)9-3-2-4-9/h8-9H,2-7,11H2,1H3
InChIKeyBNPSNTBZDVGUNV-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.13
Rot. Bonds5

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

N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 102875207) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID102875207
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC NameN'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
SMILESCn1ncnc1CN(CCN)C1CCC1
InChIInChI=1S/C10H19N5/c1-14-10(12-8-13-14)7-15(6-5-11)9-3-2-4-9/h8-9H,2-7,11H2,1H3
InChIKeyBNPSNTBZDVGUNV-UHFFFAOYSA-N
XLogP0.13
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 102875127
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79120933
N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine
CID 102875201
N-(2-chloroethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutanamine
CID 102861301
N'-cyclopentyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866285
[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81010248
N-(2-bromoethyl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 80668920
5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole
CID 155941749
N'-cyclopropyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866808
N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62127404
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 81014034

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine (CID 102875207) is N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine is Cn1ncnc1CN(CCN)C1CCC1.
What is the InChIKey of N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is BNPSNTBZDVGUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-14-10(12-8-13-14)7-15(6-5-11)9-3-2-4-9/h8-9H,2-7,11H2,1H3.
What are the key properties of N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine?
N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 209.30 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 102875207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).