N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide

C11H18N8O — CID 91784996

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCCn1ncnc1C(C)NC(=O)CCn1nnnc1C
InChIInChI=1S/C11H18N8O/c1-4-18-11(12-7-13-18)8(2)14-10(20)5-6-19-9(3)15-16-17-19/h7-8H,4-6H2,1-3H3,(H,14,20)
InChIKeyWFTLVNKPFBBUGY-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.14
Rot. Bonds6

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 91784996) has the molecular formula C11H18N8O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID91784996
Molecular FormulaC11H18N8O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCCn1ncnc1C(C)NC(=O)CCn1nnnc1C
InChIInChI=1S/C11H18N8O/c1-4-18-11(12-7-13-18)8(2)14-10(20)5-6-19-9(3)15-16-17-19/h7-8H,4-6H2,1-3H3,(H,14,20)
InChIKeyWFTLVNKPFBBUGY-UHFFFAOYSA-N
XLogP-0.14
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 125437669
N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 135101819
3-(4-methyl-1,2,4-triazol-3-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 118793035
formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 154907579
1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97454722
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
CID 91770168
3-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 125444216
4-chloro-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448966
4-chloro-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448965
N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125165825
3-(5-methyltetrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 118788261
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide (CID 91784996) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide is CCn1ncnc1C(C)NC(=O)CCn1nnnc1C.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is WFTLVNKPFBBUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8O/c1-4-18-11(12-7-13-18)8(2)14-10(20)5-6-19-9(3)15-16-17-19/h7-8H,4-6H2,1-3H3,(H,14,20).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 278.32 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 91784996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).