5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine

C14H23N7O — CID 167956534

IUPAC5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
SMILESCCn1cc([C@H]2OCC[C@@H]2CNc2nc(N(C)C)n[nH]2)cn1
InChIInChI=1S/C14H23N7O/c1-4-21-9-11(8-16-21)12-10(5-6-22-12)7-15-13-17-14(19-18-13)20(2)3/h8-10,12H,4-7H2,1-3H3,(H2,15,17,18,19)/t10-,12+/m1/s1
InChIKeyUUXJHJDNFDLHAP-PWSUYJOCSA-N
MW305.39 g/mol
LogP1.28
Rot. Bonds6

About 5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine

5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 167956534) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID167956534
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
SMILESCCn1cc([C@H]2OCC[C@@H]2CNc2nc(N(C)C)n[nH]2)cn1
InChIInChI=1S/C14H23N7O/c1-4-21-9-11(8-16-21)12-10(5-6-22-12)7-15-13-17-14(19-18-13)20(2)3/h8-10,12H,4-7H2,1-3H3,(H2,15,17,18,19)/t10-,12+/m1/s1
InChIKeyUUXJHJDNFDLHAP-PWSUYJOCSA-N
XLogP1.28
TPSA83.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine (CID 167956534) is 5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine is CCn1cc([C@H]2OCC[C@@H]2CNc2nc(N(C)C)n[nH]2)cn1.
What is the InChIKey of 5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is UUXJHJDNFDLHAP-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H23N7O/c1-4-21-9-11(8-16-21)12-10(5-6-22-12)7-15-13-17-14(19-18-13)20(2)3/h8-10,12H,4-7H2,1-3H3,(H2,15,17,18,19)/t10-,12+/m1/s1.
What are the key properties of 5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?
5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 305.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 167956534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).