1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine

C14H25N5 — CID 95132693

IUPAC1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine
SMILESC[C@@H](CCc1nc(C2CC2)n[nH]1)N1CCN(C)CC1
InChIInChI=1S/C14H25N5/c1-11(19-9-7-18(2)8-10-19)3-6-13-15-14(17-16-13)12-4-5-12/h11-12H,3-10H2,1-2H3,(H,15,16,17)/t11-/m0/s1
InChIKeyCIFJWSBHRCDBPX-NSHDSACASA-N
MW263.39 g/mol
LogP1.25
Rot. Bonds5

About 1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine

1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine (PubChem CID 95132693) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine
PubChem CID95132693
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine
SMILESC[C@@H](CCc1nc(C2CC2)n[nH]1)N1CCN(C)CC1
InChIInChI=1S/C14H25N5/c1-11(19-9-7-18(2)8-10-19)3-6-13-15-14(17-16-13)12-4-5-12/h11-12H,3-10H2,1-2H3,(H,15,16,17)/t11-/m0/s1
InChIKeyCIFJWSBHRCDBPX-NSHDSACASA-N
XLogP1.25
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine (CID 95132693) is 1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine is C[C@@H](CCc1nc(C2CC2)n[nH]1)N1CCN(C)CC1.
What is the InChIKey of 1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine?
The InChIKey is CIFJWSBHRCDBPX-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N5/c1-11(19-9-7-18(2)8-10-19)3-6-13-15-14(17-16-13)12-4-5-12/h11-12H,3-10H2,1-2H3,(H,15,16,17)/t11-/m0/s1.
What are the key properties of 1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine?
1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine has a molecular weight of 263.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine is sourced from PubChem (CID 95132693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).