N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine

C9H15N7 — CID 106302521

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCCn1cnnc1CNCc1ncnn1C
InChIInChI=1S/C9H15N7/c1-3-16-7-12-14-9(16)5-10-4-8-11-6-13-15(8)2/h6-7,10H,3-5H2,1-2H3
InChIKeyVRIQITYNRMMVKL-UHFFFAOYSA-N
MW221.27 g/mol
LogP-0.28
Rot. Bonds5

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 106302521) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID106302521
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCCn1cnnc1CNCc1ncnn1C
InChIInChI=1S/C9H15N7/c1-3-16-7-12-14-9(16)5-10-4-8-11-6-13-15(8)2/h6-7,10H,3-5H2,1-2H3
InChIKeyVRIQITYNRMMVKL-UHFFFAOYSA-N
XLogP-0.28
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine with MolForge

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Related Compounds

(4-methyl-4H-1,2,4-triazol-3-yl)methanamine
CID 21744036
methyl(((4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methyl))amine
CID 16763501
methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 23005312
(1-methyl-1H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 18314526
(1-methyl-1H-1,2,4-triazol-5-yl)methanamine
CID 18330011
(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24695936
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 28064104
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 47252995
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 56717875
1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 155512326
N,N-bis[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 155563785
methyl[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]amine
CID 56828625

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine (CID 106302521) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine is CCn1cnnc1CNCc1ncnn1C.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is VRIQITYNRMMVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-3-16-7-12-14-9(16)5-10-4-8-11-6-13-15(8)2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 221.27 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 106302521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).