(3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine

C15H17N5O — CID 120940514

IUPAC(3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine
SMILESc1cc(CN[C@H]2COC[C@H]2n2ccnn2)c2cc[nH]c2c1
InChIInChI=1S/C15H17N5O/c1-2-11(12-4-5-16-13(12)3-1)8-17-14-9-21-10-15(14)20-7-6-18-19-20/h1-7,14-17H,8-10H2/t14-,15+/m0/s1
InChIKeyAMDCNDHXOAMGBB-LSDHHAIUSA-N
MW283.33 g/mol
LogP1.49
Rot. Bonds4

About (3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine

(3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine (PubChem CID 120940514) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is (3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine
PubChem CID120940514
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name(3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine
SMILESc1cc(CN[C@H]2COC[C@H]2n2ccnn2)c2cc[nH]c2c1
InChIInChI=1S/C15H17N5O/c1-2-11(12-4-5-16-13(12)3-1)8-17-14-9-21-10-15(14)20-7-6-18-19-20/h1-7,14-17H,8-10H2/t14-,15+/m0/s1
InChIKeyAMDCNDHXOAMGBB-LSDHHAIUSA-N
XLogP1.49
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine?
The IUPAC name of (3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine (CID 120940514) is (3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine.
What is the SMILES notation for (3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine?
The canonical SMILES for (3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine is c1cc(CN[C@H]2COC[C@H]2n2ccnn2)c2cc[nH]c2c1.
What is the InChIKey of (3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine?
The InChIKey is AMDCNDHXOAMGBB-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-11(12-4-5-16-13(12)3-1)8-17-14-9-21-10-15(14)20-7-6-18-19-20/h1-7,14-17H,8-10H2/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine?
(3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine has a molecular weight of 283.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(1H-indol-4-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine is sourced from PubChem (CID 120940514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).