5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine

C14H21N5O — CID 125434909

IUPAC5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine
SMILESCOc1ccc(CC[C@@H](C)NCc2nc(N)n[nH]2)cc1
InChIInChI=1S/C14H21N5O/c1-10(16-9-13-17-14(15)19-18-13)3-4-11-5-7-12(20-2)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3,(H3,15,17,18,19)/t10-/m1/s1
InChIKeyLLZQDJLOMCIKSP-SNVBAGLBSA-N
MW275.36 g/mol
LogP1.51
Rot. Bonds7

About 5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine

5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine (PubChem CID 125434909) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine
PubChem CID125434909
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine
SMILESCOc1ccc(CC[C@@H](C)NCc2nc(N)n[nH]2)cc1
InChIInChI=1S/C14H21N5O/c1-10(16-9-13-17-14(15)19-18-13)3-4-11-5-7-12(20-2)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3,(H3,15,17,18,19)/t10-/m1/s1
InChIKeyLLZQDJLOMCIKSP-SNVBAGLBSA-N
XLogP1.51
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine with MolForge

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Related Compounds

(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277
4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732215
4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine
CID 106414728
4-(4-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 61013750
4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 103786270
4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 63002181
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896171
1-[3-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-5-yl]-N-methylmethanamine
CID 82568233

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine (CID 125434909) is 5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine is COc1ccc(CC[C@@H](C)NCc2nc(N)n[nH]2)cc1.
What is the InChIKey of 5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is LLZQDJLOMCIKSP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10(16-9-13-17-14(15)19-18-13)3-4-11-5-7-12(20-2)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3,(H3,15,17,18,19)/t10-/m1/s1.
What are the key properties of 5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine?
5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 275.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 125434909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).