1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

C9H14N6 — CID 66134239

IUPAC1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESCCn1cncc1CNCc1ncn[nH]1
InChIInChI=1S/C9H14N6/c1-2-15-7-11-4-8(15)3-10-5-9-12-6-13-14-9/h4,6-7,10H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyZFMOGCVQKZXVTD-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.31
Rot. Bonds5

About 1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (PubChem CID 66134239) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
PubChem CID66134239
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESCCn1cncc1CNCc1ncn[nH]1
InChIInChI=1S/C9H14N6/c1-2-15-7-11-4-8(15)3-10-5-9-12-6-13-14-9/h4,6-7,10H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyZFMOGCVQKZXVTD-UHFFFAOYSA-N
XLogP0.31
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 138032824
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CID 164632025
CID 164632025
CID 91393180
CID 91393180
CID 142348054
CID 142348054
CID 142348083
CID 142348083
CID 144159765
CID 144159765
CID 144159835
CID 144159835
CID 144159844
CID 144159844
CID 144160020
CID 144160020

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (CID 66134239) is 1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is CCn1cncc1CNCc1ncn[nH]1.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The InChIKey is ZFMOGCVQKZXVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-2-15-7-11-4-8(15)3-10-5-9-12-6-13-14-9/h4,6-7,10H,2-3,5H2,1H3,(H,12,13,14).
What are the key properties of 1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine has a molecular weight of 206.25 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is sourced from PubChem (CID 66134239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).