3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine

C10H21N5 — CID 79052789

IUPAC3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine
SMILESCN(C)C(C)(C)C(N)Cc1ncnn1C
InChIInChI=1S/C10H21N5/c1-10(2,14(3)4)8(11)6-9-12-7-13-15(9)5/h7-8H,6,11H2,1-5H3
InChIKeyDPWKGUOERWUOJM-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.03
Rot. Bonds4

About 3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine

3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine (PubChem CID 79052789) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine
PubChem CID79052789
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine
SMILESCN(C)C(C)(C)C(N)Cc1ncnn1C
InChIInChI=1S/C10H21N5/c1-10(2,14(3)4)8(11)6-9-12-7-13-15(9)5/h7-8H,6,11H2,1-5H3
InChIKeyDPWKGUOERWUOJM-UHFFFAOYSA-N
XLogP0.03
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydrazinyl-N,N,2-trimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105238923
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997860
1-(4-tert-butylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997926
4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline
CID 105316424
1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 115649274
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891
[4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 103025371
1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080658
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64673278
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 113470301
2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol
CID 130529651

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine?
The IUPAC name of 3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine (CID 79052789) is 3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine.
What is the SMILES notation for 3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine?
The canonical SMILES for 3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine is CN(C)C(C)(C)C(N)Cc1ncnn1C.
What is the InChIKey of 3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine?
The InChIKey is DPWKGUOERWUOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-10(2,14(3)4)8(11)6-9-12-7-13-15(9)5/h7-8H,6,11H2,1-5H3.
What are the key properties of 3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine?
3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine has a molecular weight of 211.31 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine is sourced from PubChem (CID 79052789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).