(2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide

C14H24N8O — CID 164639969

IUPAC(2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)n1cnnc1CNC(=O)[C@H](C)n1nnnc1C(C)(C)C
InChIInChI=1S/C14H24N8O/c1-9(2)21-8-16-17-11(21)7-15-12(23)10(3)22-13(14(4,5)6)18-19-20-22/h8-10H,7H2,1-6H3,(H,15,23)/t10-/m0/s1
InChIKeyDCPGUAFABNOBRC-JTQLQIEISA-N
MW320.40 g/mol
LogP1.02
Rot. Bonds5

About (2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide

(2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 164639969) has the molecular formula C14H24N8O and a molecular weight of 320.40 g/mol. Its IUPAC name is (2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID164639969
Molecular FormulaC14H24N8O
Molecular Weight320.40 g/mol
Exact Mass320.21
IUPAC Name(2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)n1cnnc1CNC(=O)[C@H](C)n1nnnc1C(C)(C)C
InChIInChI=1S/C14H24N8O/c1-9(2)21-8-16-17-11(21)7-15-12(23)10(3)22-13(14(4,5)6)18-19-20-22/h8-10H,7H2,1-6H3,(H,15,23)/t10-/m0/s1
InChIKeyDCPGUAFABNOBRC-JTQLQIEISA-N
XLogP1.02
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide (CID 164639969) is (2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide is CC(C)n1cnnc1CNC(=O)[C@H](C)n1nnnc1C(C)(C)C.
What is the InChIKey of (2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is DCPGUAFABNOBRC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N8O/c1-9(2)21-8-16-17-11(21)7-15-12(23)10(3)22-13(14(4,5)6)18-19-20-22/h8-10H,7H2,1-6H3,(H,15,23)/t10-/m0/s1.
What are the key properties of (2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
(2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 320.40 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 164639969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).