(2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride

C14H18ClN5O2 — CID 120792777

About (2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120792777) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride
• PubChem CID: 120792777
• Molecular Formula: C14H18ClN5O2
• Molecular Weight: 323.78 g/mol
• Exact Mass: 323.11
• IUPAC Name: (2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride
• SMILES: Cl.NC[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ncn[nH]3)cc2)O1
• InChI: InChI=1S/C14H17N5O2.ClH/c15-7-11-5-6-12(21-11)14(20)18-10-3-1-9(2-4-10)13-16-8-17-19-13;/h1-4,8,11-12H,5-7,15H2,(H,18,20)(H,16,17,19);1H/t11-,12+;/m1./s1
• InChIKey: REUJBDVZGGYQSA-LYCTWNKOSA-N
• XLogP: 1.34
• TPSA: 105.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.78
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride?

The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride (CID 120792777) is (2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride.

What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride?

The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ncn[nH]3)cc2)O1.

What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride?

The InChIKey is REUJBDVZGGYQSA-LYCTWNKOSA-N. The full InChI is InChI=1S/C14H17N5O2.ClH/c15-7-11-5-6-12(21-11)14(20)18-10-3-1-9(2-4-10)13-16-8-17-19-13;/h1-4,8,11-12H,5-7,15H2,(H,18,20)(H,16,17,19);1H/t11-,12+;/m1./s1.

What are the key properties of (2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride?

(2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 323.78 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120792777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).